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Bicyclo[3.1.1]heptane-3-carboxylic acid, 6,6-dimethyl-2-oxo-3-(phenylseleno)-, ethyl ester
SpectraBase Compound ID H5Yg2wVT4NL
InChI InChI=1S/C18H22O3Se/c1-4-21-16(20)18(22-13-8-6-5-7-9-13)11-12-10-14(15(18)19)17(12,2)3/h5-9,12,14H,4,10-11H2,1-3H3
InChIKey PQUARPHVVNPFML-UHFFFAOYSA-N
Mol Weight 365.34 g/mol
Molecular Formula C18H22O3Se
Exact Mass 366.073417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJc7y6LT7o5
Name Bicyclo[3.1.1]heptane-3-carboxylic acid, 6,6-dimethyl-2-oxo-3-(phenylseleno)-, ethyl ester
Alternate Name(s) Ethyl 6,6-dimethyl-2-oxo-3-(phenylselanyl)bicyclo[3.1.1]heptane-3-carboxylate Ethyl 6,6-dimethyl-2-oxo-3-(phenylseleno)bicyclo[3.1.1]heptane-3-carboxylate
CAS Registry Number 96246-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3Se
InChI InChI=1S/C18H22O3Se/c1-4-21-16(20)18(22-13-8-6-5-7-9-13)11-12-10-14(15(18)19)17(12,2)3/h5-9,12,14H,4,10-11H2,1-3H3
InChIKey PQUARPHVVNPFML-UHFFFAOYSA-N
Molecular Weight 365.343 g/mol
SMILES C1(C(C2CC(C2(C)C)C1)=O)(C(=O)OCC)[Se]c1ccccc1
SPLASH splash10-0536-9100000000-d38ba17d6f04602ffef0
Source of Spectrum J-50-1909-0
Wiley ID 1351798